SCHEMBL22182397

SCHEMBL22182397

CC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccccc4)c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4)c3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.33
▸ PGR P06401 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ MLNR O43193 1/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21946572 0.97 MLNR (0.33) PDK2PGRTDP1THRBMLNR
SCHEMBL24156387 0.96 PDK2 (0.35) PDK2PGRTDP1ALDH1A1L3MBTL1
SCHEMBL24156279 0.96 PDK2 (0.35) PDK2PGRTDP1ALDH1A1L3MBTL1
SCHEMBL22182398 0.95 PDK2 (0.36) PDK2PGRTDP1THRBMLNR
SCHEMBL22182385 0.94 RARB (0.36) PDK2TDP1ALDH1A1L3MBTL1KDM4E
SCHEMBL24155971 0.94 PDK2 (0.32) PDK2MLNRNR1I2CHRM2ADRB1
SCHEMBL22182403 0.93 PDK2 (0.36) PDK2RARBRARGRXRA
SCHEMBL26279042 0.93 PDK2 (0.38) PDK2TDP1MLNRNR1I2CHRM2
SCHEMBL23065586 0.91 PDK2 (0.36) PDK2
SCHEMBL26284944 0.91 PDK2 (0.36) PDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210408381-A1 COMPOUND, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE LT MATERIALS CO., LTD. (KR) 2021-12-30 — — US disclosed
WO-2020138837-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE 엘티소재주식회사 2020-07-02 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210408381-A1 COMPOUND, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OXER1, OR10J3, OR51E2 PDK2 2490/4885PGR 3871/4885TDP1 3183/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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